2-(1,7-dimethylindazol-3-yl)-2-methyl-1-[(2S)-morpholin-2-yl]propan-1-one

C17H23N3O2 — CID 145079705

IUPAC2-(1,7-dimethylindazol-3-yl)-2-methyl-1-[(2S)-morpholin-2-yl]propan-1-one
SMILESCc1cccc2c(C(C)(C)C(=O)[C@@H]3CNCCO3)nn(C)c12
InChIInChI=1S/C17H23N3O2/c1-11-6-5-7-12-14(11)20(4)19-15(12)17(2,3)16(21)13-10-18-8-9-22-13/h5-7,13,18H,8-10H2,1-4H3/t13-/m0/s1
InChIKeyNCKARBBLCVWDLA-ZDUSSCGKSA-N
MW301.39 g/mol
LogP1.72
Rot. Bonds3

About 2-(1,7-dimethylindazol-3-yl)-2-methyl-1-[(2S)-morpholin-2-yl]propan-1-one

2-(1,7-dimethylindazol-3-yl)-2-methyl-1-[(2S)-morpholin-2-yl]propan-1-one (PubChem CID 145079705) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is 2-(1,7-dimethylindazol-3-yl)-2-methyl-1-[(2S)-morpholin-2-yl]propan-1-one.

Molecular Properties

Compound Name2-(1,7-dimethylindazol-3-yl)-2-methyl-1-[(2S)-morpholin-2-yl]propan-1-one
PubChem CID145079705
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name2-(1,7-dimethylindazol-3-yl)-2-methyl-1-[(2S)-morpholin-2-yl]propan-1-one
SMILESCc1cccc2c(C(C)(C)C(=O)[C@@H]3CNCCO3)nn(C)c12
InChIInChI=1S/C17H23N3O2/c1-11-6-5-7-12-14(11)20(4)19-15(12)17(2,3)16(21)13-10-18-8-9-22-13/h5-7,13,18H,8-10H2,1-4H3/t13-/m0/s1
InChIKeyNCKARBBLCVWDLA-ZDUSSCGKSA-N
XLogP1.72
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2-methylphenyl)-morpholin-2-ylmethanone
CID 84673271
(2-methylpyrazol-3-yl)-morpholin-2-ylmethanone
CID 116561589
2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-morpholin-2-ylethanone
CID 116561672
N-methyl-N-(3-methylphenyl)morpholine-2-carboxamide;hydrochloride
CID 119707893
(2S)-N-[(3-methyl-2-pyridinyl)methyl]morpholine-2-carboxamide
CID 92632288
N-(1-methylpyrazol-3-yl)morpholine-2-carboxamide;hydrochloride
CID 119693556
2-(furan-2-yl)-1-morpholin-2-ylethanone
CID 116561702
(2R)-N-(2-quinolin-4-ylpropan-2-yl)morpholine-2-carboxamide
CID 121346616
N-[1-(2-methylphenyl)ethyl]morpholine-2-carboxamide;hydrochloride
CID 119686063
N-[2-methyl-1-(2-methylphenyl)propyl]morpholine-2-carboxamide
CID 119782789
ethane;1,3,7-trimethylindazole
CID 171820763
2-[4-amino-2-(trifluoromethyl)benzimidazol-1-yl]-1-morpholin-2-ylethanone
CID 67636618

Frequently Asked Questions

What is the IUPAC name of 2-(1,7-dimethylindazol-3-yl)-2-methyl-1-[(2S)-morpholin-2-yl]propan-1-one?
The IUPAC name of 2-(1,7-dimethylindazol-3-yl)-2-methyl-1-[(2S)-morpholin-2-yl]propan-1-one (CID 145079705) is 2-(1,7-dimethylindazol-3-yl)-2-methyl-1-[(2S)-morpholin-2-yl]propan-1-one.
What is the SMILES notation for 2-(1,7-dimethylindazol-3-yl)-2-methyl-1-[(2S)-morpholin-2-yl]propan-1-one?
The canonical SMILES for 2-(1,7-dimethylindazol-3-yl)-2-methyl-1-[(2S)-morpholin-2-yl]propan-1-one is Cc1cccc2c(C(C)(C)C(=O)[C@@H]3CNCCO3)nn(C)c12.
What is the InChIKey of 2-(1,7-dimethylindazol-3-yl)-2-methyl-1-[(2S)-morpholin-2-yl]propan-1-one?
The InChIKey is NCKARBBLCVWDLA-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-11-6-5-7-12-14(11)20(4)19-15(12)17(2,3)16(21)13-10-18-8-9-22-13/h5-7,13,18H,8-10H2,1-4H3/t13-/m0/s1.
What are the key properties of 2-(1,7-dimethylindazol-3-yl)-2-methyl-1-[(2S)-morpholin-2-yl]propan-1-one?
2-(1,7-dimethylindazol-3-yl)-2-methyl-1-[(2S)-morpholin-2-yl]propan-1-one has a molecular weight of 301.39 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,7-dimethylindazol-3-yl)-2-methyl-1-[(2S)-morpholin-2-yl]propan-1-one is sourced from PubChem (CID 145079705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).